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Chemical structure of CDK12-IN-E9

GC60103

CDK12-IN-E9

Also known as N-[3-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamide

CDK12-IN-E9 is a potent and selective covalent CDK12 inhibitor and a non-covalent CDK9 inhibitor, while avoiding ABC transporter-mediated efflux· CDK12-IN-E9 has weak binding ability to CDK7/CyclinH complex with an IC50> 1 μM

ChemicalCAS2020052-55-3MW434.53FormulaC24H30N6O2
CAS number
2020052-55-3
Molecular weight
434.53
Formula
C24H30N6O2
InChIKey
CDCHESFKYUNJPV-FQEVSTJZSA-N
Catalogue number
GC60103
Brand
GLPBIO
Computed properties PubChem CID 122596923 · XLogP 3.8 · TPSA 94.8 Ų · H-bond donors 3
XLogP
3.8
TPSA
94.8 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
32

SMILES CCC1=C2N=C(C=C(N2N=C1)NC3=CC(=CC=C3)NC(=O)C=C)N4CCCC[C@H]4CCO

Computed descriptors from PubChem (CID 122596923), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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